4,6-Bis (octylthiomethyl)-o-cresol
Product Information
Molecular Formula
C25H44OS2
Molecular Weight
424.75
Description
4,6-Bis (octylthiomethyl)-o-cresol is a biomedical product used for its antioxidant properties. It demonstrates potential as a therapeutic agent in treating oxidative stress-related diseases, such as neurodegenerative disorders and cardiovascular diseases.
Synonyms
4,6-Bis (octylthiomethyl)-o-cresol; 2-Methyl-4,6-bis(octylsulfanylmethyl)phenol; 2,4-bis-(Octylthiomethyl)-6-methylphenol
IUPAC Name
2-methyl-4,6-bis(octylsulfanylmethyl)phenol
SMILES
CCCCCCCCSCC1=CC(=C(C(=C1)CSCCCCCCCC)O)C
InChI
InChI=1S/C25H44OS2/c1-4-6-8-10-12-14-16-27-20-23-18-22(3)25(26)24(19-23)21-28-17-15-13-11-9-7-5-2/h18-19,26H,4-17,20-21H2,1-3H3
InChI Key
GAODDBNJCKQQDY-UHFFFAOYSA-N
Boiling Point
532.2°C at 760 mmHg
Flash Point
258 °C
Purity
95%
Density
0.99 g/cm3
Appearance
white、Pale yellow oily liquid or crystalline
Computed Properties
XLogP3
9.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
18
Exact Mass
424.28335837 g/mol
Monoisotopic Mass
424.28335837 g/mol
Topological Polar Surface Area
70.8Ų
Heavy Atom Count
28
Formal Charge
0
Complexity
337
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
